2-(1,3,4-oxadiazol-2-ylsulfanyl)propanamide

C5H7N3O2S — CID 55252848

IUPAC2-(1,3,4-oxadiazol-2-ylsulfanyl)propanamide
SMILESCC(Sc1nnco1)C(N)=O
InChIInChI=1S/C5H7N3O2S/c1-3(4(6)9)11-5-8-7-2-10-5/h2-3H,1H3,(H2,6,9)
InChIKeyGNAGBKDCRUOHFI-UHFFFAOYSA-N
MW173.20 g/mol
LogP0.04
Rot. Bonds3

About 2-(1,3,4-oxadiazol-2-ylsulfanyl)propanamide

2-(1,3,4-oxadiazol-2-ylsulfanyl)propanamide (PubChem CID 55252848) has the molecular formula C5H7N3O2S and a molecular weight of 173.20 g/mol. Its IUPAC name is 2-(1,3,4-oxadiazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound Name2-(1,3,4-oxadiazol-2-ylsulfanyl)propanamide
PubChem CID55252848
Molecular FormulaC5H7N3O2S
Molecular Weight173.20 g/mol
Exact Mass173.03
IUPAC Name2-(1,3,4-oxadiazol-2-ylsulfanyl)propanamide
SMILESCC(Sc1nnco1)C(N)=O
InChIInChI=1S/C5H7N3O2S/c1-3(4(6)9)11-5-8-7-2-10-5/h2-3H,1H3,(H2,6,9)
InChIKeyGNAGBKDCRUOHFI-UHFFFAOYSA-N
XLogP0.04
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-oxadiazol-2-ylsulfanyl)propanamide?
The IUPAC name of 2-(1,3,4-oxadiazol-2-ylsulfanyl)propanamide (CID 55252848) is 2-(1,3,4-oxadiazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for 2-(1,3,4-oxadiazol-2-ylsulfanyl)propanamide?
The canonical SMILES for 2-(1,3,4-oxadiazol-2-ylsulfanyl)propanamide is CC(Sc1nnco1)C(N)=O.
What is the InChIKey of 2-(1,3,4-oxadiazol-2-ylsulfanyl)propanamide?
The InChIKey is GNAGBKDCRUOHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S/c1-3(4(6)9)11-5-8-7-2-10-5/h2-3H,1H3,(H2,6,9).
What are the key properties of 2-(1,3,4-oxadiazol-2-ylsulfanyl)propanamide?
2-(1,3,4-oxadiazol-2-ylsulfanyl)propanamide has a molecular weight of 173.20 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-oxadiazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 55252848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).